(Z)-5-butan-2-yloxy-4-methylpent-3-en-2-amine

C10H21NO — CID 166812725

IUPAC(Z)-5-butan-2-yloxy-4-methylpent-3-en-2-amine
SMILESCCC(C)OC/C(C)=C\C(C)N
InChIInChI=1S/C10H21NO/c1-5-10(4)12-7-8(2)6-9(3)11/h6,9-10H,5,7,11H2,1-4H3/b8-6-
InChIKeyATGBYOKGOLBTHS-VURMDHGXSA-N
MW171.28 g/mol
LogP2.10
Rot. Bonds5

About (Z)-5-butan-2-yloxy-4-methylpent-3-en-2-amine

(Z)-5-butan-2-yloxy-4-methylpent-3-en-2-amine (PubChem CID 166812725) has the molecular formula C10H21NO and a molecular weight of 171.28 g/mol. Its IUPAC name is (Z)-5-butan-2-yloxy-4-methylpent-3-en-2-amine.

Molecular Properties

Compound Name(Z)-5-butan-2-yloxy-4-methylpent-3-en-2-amine
PubChem CID166812725
Molecular FormulaC10H21NO
Molecular Weight171.28 g/mol
Exact Mass171.16
IUPAC Name(Z)-5-butan-2-yloxy-4-methylpent-3-en-2-amine
SMILESCCC(C)OC/C(C)=C\C(C)N
InChIInChI=1S/C10H21NO/c1-5-10(4)12-7-8(2)6-9(3)11/h6,9-10H,5,7,11H2,1-4H3/b8-6-
InChIKeyATGBYOKGOLBTHS-VURMDHGXSA-N
XLogP2.10
TPSA35.25 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500171.28
LogP ≤ 52.10
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'isolated_alkene', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of (Z)-5-butan-2-yloxy-4-methylpent-3-en-2-amine?
The IUPAC name of (Z)-5-butan-2-yloxy-4-methylpent-3-en-2-amine (CID 166812725) is (Z)-5-butan-2-yloxy-4-methylpent-3-en-2-amine.
What is the SMILES notation for (Z)-5-butan-2-yloxy-4-methylpent-3-en-2-amine?
The canonical SMILES for (Z)-5-butan-2-yloxy-4-methylpent-3-en-2-amine is CCC(C)OC/C(C)=C\C(C)N.
What is the InChIKey of (Z)-5-butan-2-yloxy-4-methylpent-3-en-2-amine?
The InChIKey is ATGBYOKGOLBTHS-VURMDHGXSA-N. The full InChI is InChI=1S/C10H21NO/c1-5-10(4)12-7-8(2)6-9(3)11/h6,9-10H,5,7,11H2,1-4H3/b8-6-.
What are the key properties of (Z)-5-butan-2-yloxy-4-methylpent-3-en-2-amine?
(Z)-5-butan-2-yloxy-4-methylpent-3-en-2-amine has a molecular weight of 171.28 g/mol, XLogP of 2.10, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (Z)-5-butan-2-yloxy-4-methylpent-3-en-2-amine is sourced from PubChem (CID 166812725), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).